%chk=000101356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101356

0 1
 O   -4.001500       1.875200      0.3796000    
 O    3.888400       1.505600     -0.9213000    
 O   0.1226000      -1.044700     -0.4916000    
 O  -9.4899997E-02  -2.389000       1.371000    
 C   -3.773600      0.7737000     -0.5157000    
 C    3.709200       1.178500      0.4671000    
 C  -3.3599999E-02  0.1157000      0.3208000    
 C   -2.543800      1.5000000E-03 -7.9300001E-02
 C    2.494000      0.2867000      0.6332000    
 C   -1.284800      0.8713000     -0.1454000    
 C    1.211400       1.005100      0.2046000    
 C   -5.046600     -5.4699998E-02 -0.4998000    
 C    5.004900      0.5276000      0.9191000    
 C   -6.096800       1.011900     -0.3163000    
 C    6.020400       1.271400      8.8500001E-02
 C   -5.410500       1.965900      0.6381000    
 C    5.289100       1.435400      -1.226900    
 C   7.0900001E-02  -2.243200      0.1677000    
 C   0.2512000      -3.364100     -0.8288000    
 C   0.2239000      -4.729600     -0.1645000    
 H   -3.621200       1.198000      -1.516200    
 H    3.563400       2.123900       1.004800    
 H  -0.1671000     -0.1308000       1.381500    
 H   -2.430300     -0.8815000     -0.7181000    
 H   -2.671200     -0.3481000      0.9530000    
 H    2.403800     -3.2800000E-02   1.678000    
 H    2.622700     -0.6139000      2.0600000E-02
 H   -1.146400       1.197600      -1.184400    
 H   -1.411200       1.772700      0.4657000    
 H    1.075600       1.910300      0.8090000    
 H    1.318100       1.324200     -0.8399000    
 H   -5.181300     -0.6452000      -1.410300    
 H   -5.062100     -0.7375000      0.3584000    
 H    5.173600      0.6183000       1.995600    
 H    5.024200     -0.5371000      0.6565000    
 H   -6.288900       1.512800      -1.272500    
 H   -7.047200      0.6331000      6.8499997E-02
 H    6.216100       2.254400      0.5331000    
 H    6.973900      0.7471000     -1.5600000E-02
 H   -5.743000       2.999800      0.5099000    
 H   -5.576700       1.671900       1.679900    
 H    5.594000       2.335700      -1.767500    
 H    5.444100      0.5678000      -1.877200    
 H    1.212900      -3.226400      -1.334300    
 H  -0.5550000      -3.303100      -1.567400    
 H   0.3581000      -5.519100     -0.9103000    
 H  -0.7298000      -4.899300      0.3462000    
 H    1.022600      -4.821000      0.5790000    


%chk=000101356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101356

0 1
O -4.072259 2.040034 0.221681
O 3.971637 1.516349 -0.911808
O 0.095745 -1.073562 -0.602683
O 0.135838 -2.399883 1.326504
C -3.899256 0.815170 -0.628868
C 3.679694 1.267010 0.538168
C -0.100613 0.192289 0.200917
C -2.643826 0.052495 -0.180522
C 2.431602 0.380288 0.665129
C -1.355413 0.882725 -0.351546
C 1.174903 1.037872 0.058628
C -5.220906 0.016710 -0.495188
C 4.972967 0.651889 1.129917
C -6.260583 1.092936 -0.093205
C 6.086815 1.167748 0.183931
C -5.425055 2.007268 0.824968
C 5.377042 1.134678 -1.184575
C 0.198436 -2.286789 0.079427
C 0.392267 -3.425671 -0.914304
C 0.532972 -4.797846 -0.232724
H -3.765867 1.181195 -1.668683
H 3.480939 2.263143 0.988219
H -0.252062 -0.119479 1.252986
H -2.566268 -0.883626 -0.769445
H -2.769539 -0.236521 0.882208
H 2.261710 0.153844 1.738150
H 2.634035 -0.581952 0.156547
H -1.196108 1.119942 -1.422418
H -1.484656 1.846218 0.178267
H 0.987105 2.010209 0.559359
H 1.361545 1.256663 -1.008955
H -5.485592 -0.506495 -1.429777
H -5.124811 -0.740170 0.306950
H 5.131208 0.948551 2.180675
H 4.917520 -0.452897 1.088988
H -6.600673 1.652329 -0.983726
H -7.144307 0.669675 0.415015
H 6.365584 2.204506 0.446823
H 6.996301 0.542693 0.208628
H -5.789415 3.047601 0.874179
H -5.369311 1.591870 1.853578
H 5.780210 1.856727 -1.915320
H 5.410317 0.115553 -1.624817
H 1.280655 -3.188364 -1.530409
H -0.464937 -3.411785 -1.614805
H 0.666848 -5.591513 -0.989096
H -0.360926 -5.033763 0.369577
H 1.400088 -4.813859 0.449554


